chempirical

Fendosal

C25H19NO3CAS 53597-27-6381.43 g/mol

Open in Covalent MOL file
OOHNOH
Carboxylic acidPhenol

Properties

Molecular formula
C25H19NO3
Molar mass
381.43 g/mol
Exact mass
381.1365 Da
Melting point
223–225 °C (decomposes)
logP
5.31Crippen estimate
Polar surface area
62.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53597-27-6
SMILES
O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O
InChIKey
HAWWPSYXSLJRBO-UHFFFAOYSA-N
InChI
InChI=1S/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzoic acid, 5-(4,5-dihydro-2-phenyl-3H-benz[e]indol-3-yl)-2-hydroxy-
  • 3H-Benz[e]indole, benzoic acid deriv.
  • 5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)-2-hydroxybenzoic acid
  • 3-(3-Carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole
  • 3-(3-Carboxy-4-hydroxyphenyl)-2-phenyl-4,5-dihydro-3H-benz[e]indole
  • Alnovin
  • P 71-0129
  • HP 129
  • NSC 351522
  • 5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acid

Work with Fendosal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Phenylethyl)benzoic acid4890-85-141 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-640 % similar 2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid84627-04-339 % similar 5-Iodosalicylic acid119-30-238 % similar 5,5'-Methylenedisalicylic acid122-25-838 % similar 1-Biphenyl-2-carboxylic acid947-84-238 % similar Lavendustin A125697-92-937 % similar Gentisic acid490-79-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook